SCHEMBL23937279

SCHEMBL23937279

O=C(OCc1ccccc1)c1ccc(C(c2ccc(C(=O)OCc3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
TDP1 Q9NUW8 4/20 0.65
SLC6A2 P23975 1/20 0.65
SLC6A3 Q01959 1/20 0.65
LMNA P02545 3/20 0.64
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 1/20 0.45
PTPRC P08575 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20831000 0.88 KMT2A (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20830724 0.85 KMT2A (0.65) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL312287 0.83 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL22178480 0.82 ALDH1A1 (0.67) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1855497 0.82 SMN1; SMN2 (0.60) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10600539 0.81 KMT2A (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL18320469 0.81 KMT2A (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20831002 0.80 KMT2A (0.67) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL3038 0.80 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL8010992 0.80 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220142874-A1 DENTAL COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2022-05-12 US disclosed
EP-3895682-A1 DENTAL COMPOSITION Kuraray Noritake Dental Inc. (JP) 2021-10-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220142874-A1 DENTAL COMPOSITION SMCHD1, CAD, PUF60 KMT2A 2475/4885TDP1 2080/4885SLC6A2 4868/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.